5-hexyl-2-(2-methylphenyl)-1H-imidazole

C16H22N2 — CID 176655031

IUPAC5-hexyl-2-(2-methylphenyl)-1H-imidazole
SMILESCCCCCCc1cnc(-c2ccccc2C)[nH]1
InChIInChI=1S/C16H22N2/c1-3-4-5-6-10-14-12-17-16(18-14)15-11-8-7-9-13(15)2/h7-9,11-12H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyFMXAPQKBOVRKSP-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.51
Rot. Bonds6

About 5-hexyl-2-(2-methylphenyl)-1H-imidazole

5-hexyl-2-(2-methylphenyl)-1H-imidazole (PubChem CID 176655031) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 5-hexyl-2-(2-methylphenyl)-1H-imidazole.

Molecular Properties

Compound Name5-hexyl-2-(2-methylphenyl)-1H-imidazole
PubChem CID176655031
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name5-hexyl-2-(2-methylphenyl)-1H-imidazole
SMILESCCCCCCc1cnc(-c2ccccc2C)[nH]1
InChIInChI=1S/C16H22N2/c1-3-4-5-6-10-14-12-17-16(18-14)15-11-8-7-9-13(15)2/h7-9,11-12H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyFMXAPQKBOVRKSP-UHFFFAOYSA-N
XLogP4.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-5-undecyl-1H-imidazole
CID 154198104
5-butyl-2-(2,3-dichlorophenyl)-1H-imidazole
CID 91149338
2-methyl-5-octadecyl-1H-imidazole;hydrobromide
CID 174843690
3-(5-pentyl-1H-imidazol-2-yl)pyridine
CID 69088600
2-heptyl-5-(2-methylphenyl)pyrazine
CID 59546273
5-bromo-2-(2-methylphenyl)-1H-imidazole
CID 30032976
5-heptadecyl-1H-imidazol-2-amine
CID 25178085
5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride
CID 70249249
2-hexyl-1H-indole
CID 14299246
2-heptyl-1H-indole
CID 3719004
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
2,5-dioctyl-3-phenyl-1H-pyrrole
CID 174734668

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2-(2-methylphenyl)-1H-imidazole?
The IUPAC name of 5-hexyl-2-(2-methylphenyl)-1H-imidazole (CID 176655031) is 5-hexyl-2-(2-methylphenyl)-1H-imidazole.
What is the SMILES notation for 5-hexyl-2-(2-methylphenyl)-1H-imidazole?
The canonical SMILES for 5-hexyl-2-(2-methylphenyl)-1H-imidazole is CCCCCCc1cnc(-c2ccccc2C)[nH]1.
What is the InChIKey of 5-hexyl-2-(2-methylphenyl)-1H-imidazole?
The InChIKey is FMXAPQKBOVRKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-4-5-6-10-14-12-17-16(18-14)15-11-8-7-9-13(15)2/h7-9,11-12H,3-6,10H2,1-2H3,(H,17,18).
What are the key properties of 5-hexyl-2-(2-methylphenyl)-1H-imidazole?
5-hexyl-2-(2-methylphenyl)-1H-imidazole has a molecular weight of 242.37 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2-(2-methylphenyl)-1H-imidazole is sourced from PubChem (CID 176655031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).